2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide

C16H20N2O3S — CID 5268876

IUPAC2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C16H20N2O3S/c1-10(2)12-9-14(11(3)8-15(12)19)18-22(20,21)16-7-5-4-6-13(16)17/h4-10,18-19H,17H2,1-3H3
InChIKeySPXZELRZSRBMAH-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.21
Rot. Bonds4

About 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide

2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 5268876) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
PubChem CID5268876
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C16H20N2O3S/c1-10(2)12-9-14(11(3)8-15(12)19)18-22(20,21)16-7-5-4-6-13(16)17/h4-10,18-19H,17H2,1-3H3
InChIKeySPXZELRZSRBMAH-UHFFFAOYSA-N
XLogP3.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide (CID 5268876) is 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide is Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is SPXZELRZSRBMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10(2)12-9-14(11(3)8-15(12)19)18-22(20,21)16-7-5-4-6-13(16)17/h4-10,18-19H,17H2,1-3H3.
What are the key properties of 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide?
2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 5268876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).